1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one

C16H24N2O2 — CID 90566283

IUPAC1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(Oc2ccc(C)nc2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-16(19)18-10-8-14(9-11-18)20-15-7-6-13(2)17-12-15/h6-7,12,14H,3-5,8-11H2,1-2H3
InChIKeyPZUOGQPKJPIDKK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.95
Rot. Bonds5

About 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one

1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one (PubChem CID 90566283) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
PubChem CID90566283
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(Oc2ccc(C)nc2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-16(19)18-10-8-14(9-11-18)20-15-7-6-13(2)17-12-15/h6-7,12,14H,3-5,8-11H2,1-2H3
InChIKeyPZUOGQPKJPIDKK-UHFFFAOYSA-N
XLogP2.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one
CID 90566288
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 90566486
2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 90566368
5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine
CID 90566569
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one
CID 90566394
3-[3-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90566265
(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313
(2S)-2-amino-3-methyl-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]butan-1-one;dihydrochloride
CID 67529006
(5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566406
(2-fluorophenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566330
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
N-(4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566506

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one (CID 90566283) is 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(Oc2ccc(C)nc2)CC1.
What is the InChIKey of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one?
The InChIKey is PZUOGQPKJPIDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-5-16(19)18-10-8-14(9-11-18)20-15-7-6-13(2)17-12-15/h6-7,12,14H,3-5,8-11H2,1-2H3.
What are the key properties of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one?
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 90566283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).